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74e449605a
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add warning to PyLammps that it will be removed soon
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2024-10-15 14:48:30 -04:00 |
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0ae0afbae9
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Merge branch 'develop' into cmake-cpp-std-deprecation
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2024-10-12 20:11:28 -04:00 |
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f8db5ce2ea
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Merge pull request #4349 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-10-12 20:07:33 -04:00 |
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df50691488
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small correction and clarifications
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2024-10-11 06:54:46 -04:00 |
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5c82063376
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Merge branch 'electrode' of github.com:robeme/lammps into collected-small-changes
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2024-10-10 17:32:28 -04:00 |
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9adf51f18e
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ignore python wheel build folder
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2024-10-10 17:29:33 -04:00 |
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49a850c8aa
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add cmake support for make-globbed-toc
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2024-10-10 17:25:05 -04:00 |
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7693e96828
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change globbed toc script from bash to python
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2024-10-10 17:24:23 -04:00 |
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9835adcbfc
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allow use of Sphinx version 8.x as interface with breathe seems to have been updated
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2024-10-10 13:36:53 -04:00 |
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766ba94396
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use script instead of globbing to avoid entering commands in multiple toctrees
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2024-10-10 13:36:48 -04:00 |
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505d519be2
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Update affiliation for ELECTRODE in package details
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2024-10-10 16:18:05 +02:00 |
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393dbdc640
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add missing constants to enumerators
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2024-10-10 08:00:38 -04:00 |
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56cc9d03bd
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skip tests that are unstable on GPU
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2024-10-10 06:11:32 -04:00 |
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df260b58dd
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Merge pull request #4353 from martok/cmake-win-shared
CMake: install shared libraries on Windows with correct target
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2024-10-10 05:39:28 -04:00 |
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948ee80169
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potflag and phi are not used
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2024-10-10 05:35:51 -04:00 |
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482a6632e9
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consolidate kspace communication enumerators in kspace.h
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2024-10-10 05:35:01 -04:00 |
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2935c17f78
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avoid segfault in msm/dielectric
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2024-10-10 05:19:32 -04:00 |
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58989765f0
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Install shared libraries on Windows with RUNTIME DESTINATION
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2024-10-10 00:52:36 +02:00 |
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e6c9353ccf
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add missing dependency
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2024-10-09 00:30:46 -04:00 |
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bea76778bd
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silence compiler warning
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2024-10-08 22:45:37 -04:00 |
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c84ed4189d
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Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
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2024-10-08 14:47:51 -04:00 |
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b1928596ae
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should include <string> in utils.h
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2024-10-08 14:47:11 -04:00 |
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e5ba430f5f
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re-enable KokkosOpenMP test
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2024-10-07 20:07:09 -04:00 |
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f19df37de3
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Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
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2024-10-07 19:57:43 -04:00 |
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f02b3aaf95
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reset container with .clear()
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2024-10-07 19:56:04 -04:00 |
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e6118412b1
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remove dead code in fix qeq/ctip
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2024-10-07 13:56:04 -04:00 |
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6a46fb034d
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Tweak comments
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2024-10-07 11:11:12 -06:00 |
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9aaab458e8
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Change another shallow copy to alias
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2024-10-07 10:54:28 -06:00 |
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c44831ff90
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Fix bug when Kokkos atom map is build on host using hash
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2024-10-07 10:40:58 -06:00 |
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8a176ac488
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use MKL for FFTs and on Intel GPU
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2024-10-06 15:09:06 -04:00 |
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8c76600d47
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anticipate change to C++ standard
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2024-10-06 15:06:05 -04:00 |
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a0990abb73
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nout does not have to be a class member
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2024-10-06 07:01:35 -04:00 |
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e4c0457617
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remove dead code
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2024-10-06 06:55:38 -04:00 |
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25dfb03386
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apply clang-format
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2024-10-06 00:25:53 -04:00 |
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7da8748e90
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add region command to list of exceptions needing the accelerator include
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2024-10-05 22:49:13 -04:00 |
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719a64d9dd
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apply clang-format
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2024-10-05 22:25:07 -04:00 |
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6ab0b2c249
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use std::vector<>.data() to access underlying pointer
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2024-10-05 21:58:47 -04:00 |
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e142ad8dfa
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apply clang-format
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2024-10-05 21:55:24 -04:00 |
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45440abca4
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consistently use std::vector<>.data() to access the underlying data pointer
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2024-10-05 20:36:23 -04:00 |
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4da644958e
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IntelLLVM is not ABI compatible with generic BLAS libraries. Use linalg instead
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2024-10-05 03:39:00 -04:00 |
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c3c5370570
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use std::vector.data() to access the underlying arrays
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2024-10-05 03:38:25 -04:00 |
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ca6e9abefa
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update a few more tests for IntelLLVM
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2024-10-05 03:37:33 -04:00 |
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e4dcdcd221
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skip KokkosOpenMP tests when Kokkos includes GPU support
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2024-10-05 03:05:04 -04:00 |
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248070c4b8
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use -fp-model precise for IntelLLVM to avoid miscompilation
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2024-10-05 02:41:03 -04:00 |
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cdd538e24e
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relax epsilon for IntelLLVM compiler
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2024-10-05 02:41:03 -04:00 |
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39f42d4c12
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simplify
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2024-10-05 01:56:31 -04:00 |
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c468537030
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correct access to raw vector data and use resize() instead of reserve() for better compatibility
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2024-10-05 01:56:19 -04:00 |
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01e9fb04b6
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must use fabs() for floating point numbers
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2024-10-05 01:55:17 -04:00 |
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0cb64f8bf3
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Merge branch 'develop' into collected-small-changes
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2024-10-05 01:53:22 -04:00 |
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a73baf81b1
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update settings
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2024-10-05 01:04:39 -04:00 |
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